F390-0218 Screening compound: ethyl 4-[2-(2,4-dimethylbenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate

F390-0218 Screening compound: ethyl 4-[2-(2,4-dimethylbenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate
F390-0218 Screening compound: ethyl 4-[2-(2,4-dimethylbenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F390-0218
ethyl 4-[2-(2,4-dimethylbenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F390-0218

Molecular Formula

C26H23NO5S (C26 H23 NO5 S)

Compound Name

ethyl 4-[2-(2,4-dimethylbenzoyl)-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]benzoate

IUPAC name

ethyl 4-[2-(24-dimethylbenzoyl)-11-dioxo-4H-1lambda64-benzothiazin-4-yl]benzoate

SMILES

CCOC(c(cc1)ccc1N(C=C1C(c2c(C)cc(C)cc2)=O)c(cccc2)c2S1(=O)=O)=O

InChI

InChI=1S/C26H23NO5S/c1-4-32-26(29)19-10-12-20(13-11-19)27-16-24(25(28)21-14-9-17(2)15-18(21)3)33(30,31)23-8-6-5-7-22(23)27/h5-16H,4H2,1-3H3

InChI Key

YMRZJPBOTHAPGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.950

Distribution Coefficient, logD

4.950

Water Solubility, LogSw

-4.56

Polar Surface Area

65.171

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with F390-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F390-0218?
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What is the minimum amount of F390-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F390-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F390-0218
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F390-0218 available by request